2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide

C23H27F3N4O3 — CID 42479669

IUPAC2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCCCc1cc(CN(C)C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(CC)C2=O)[nH]n1
InChIInChI=1S/C23H27F3N4O3/c1-4-7-17-11-18(28-27-17)14-29(3)19(31)12-22(13-20(32)30(5-2)21(22)33)15-8-6-9-16(10-15)23(24,25)26/h6,8-11H,4-5,7,12-14H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyZNMDPUVNOSGKOJ-QFIPXVFZSA-N
MW464.49 g/mol
LogP3.45
Rot. Bonds8

About 2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide

2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 42479669) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID42479669
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC Name2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCCCc1cc(CN(C)C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(CC)C2=O)[nH]n1
InChIInChI=1S/C23H27F3N4O3/c1-4-7-17-11-18(28-27-17)14-29(3)19(31)12-22(13-20(32)30(5-2)21(22)33)15-8-6-9-16(10-15)23(24,25)26/h6,8-11H,4-5,7,12-14H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyZNMDPUVNOSGKOJ-QFIPXVFZSA-N
XLogP3.45
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
CID 126462351
2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-(2-pyrazolidin-4-ylethyl)acetamide
CID 74793256
(3S)-1-ethyl-3-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 31016481
(3R)-1-ethyl-3-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 31016483
2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 45217853
N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
CID 45184431
N-(cyclobutylmethyl)-2-[(3R)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42213749
2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45188587
(3S)-3-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-1-ethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42210715
(3R)-N,N-diethyl-1-[2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide
CID 26277605
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
CID 26404419
N-methyl-2-[(3R)-3-(2-methylphenyl)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 42276320

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide (CID 42479669) is 2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide is CCCc1cc(CN(C)C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(CC)C2=O)[nH]n1.
What is the InChIKey of 2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is ZNMDPUVNOSGKOJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-4-7-17-11-18(28-27-17)14-29(3)19(31)12-22(13-20(32)30(5-2)21(22)33)15-8-6-9-16(10-15)23(24,25)26/h6,8-11H,4-5,7,12-14H2,1-3H3,(H,27,28)/t22-/m0/s1.
What are the key properties of 2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 464.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 42479669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).